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Acetylaranotin

  • Formula: C22H20N2O8S2

  • Molecular weight: 504.50

  • Smiles: CC(=O)OC1C=COC=C2C1N3C(=O)C45CC6=COC=CC(C6N4C(=O)C3(C2)SS5)OC(=O)C

  • Type: Epipolythiopiperazine-3,6-dione

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Acetylaranotin

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Acetylaranotin

  • First synonym: None

  • Synonyms: Acetylaranotin,20485-01-2,Antibiotic LL-S-88-A,LL-S-88-A,BRN 0600565,(16-acetyloxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo[10.10.2.01,14.03,12.04,10.015,21]tetracosa-6,9,17,20-tetraen-5-yl) acetate,UNII-VPJ3BS923N,VPJ3BS923N,LL-S 88,8H,16H-7a,15a-Epidithio-7H,15H-bisoxepino(3',4':4,5)-pyrrolo(1,2-a:1',2'-d)pyrazine-7,15-dione, 5,5a,13,13a-tetrahydro-5,13-dihydroxy-, diacetate (ester),ACETYLARANOTIN [MI],(-)-ACETYLARANOTIN,LL-S88.ALPHA.,A21101 II,((1R,4S,5S,12R,15S,16S)-16-acetyloxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo(10.10.2.01,14.03,12.04,10.015,21)tetracosa-6,9,17,20-tetraen-5-yl) acetate,(16-acetyloxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo(10.10.2.01,14.03,12.04,10.015,21)tetracosa-6,9,17,20-tetraen-5-yl) acetate,[(1R,4S,5S,12R,15S,16S)-16-acetyloxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo[10.10.2.01,14.03,12.04,10.015,21]tetracosa-6,9,17,20-tetraen-5-yl] acetate,LL-S88ALPHA,DTXSID00942658,CHEBI:219971,8H,16H-7A,15A-EPIDITHIO-7H,15H-BISOXEPINO(3',4':4,5)PYRROLO(1,2-A:1',2'-D)PYRAZINE-7,15-DIONE, 5,13-BIS(ACETYLOXY)-5,5A,13,13A-TETRAHYDRO-, (5S,5AS,7AR,13S,13AS,15AR)-,7,15-Dioxo-5,5a,13,13a-tetrahydro-7H,8H,15H,16H-7a,15a-epidithiobisoxepino[3',4':4,5]pyrrolo[1,2-a:1',2'-d]pyrazine-5,13-diyl diacetate

Identifiers / External links

Structure

  • Smiles: CC(=O)OC1C=COC=C2C1N3C(=O)C45CC6=COC=CC(C6N4C(=O)C3(C2)SS5)OC(=O)C

  • Isomeric smiles: CC(=O)OC1C=COC=C2C1N3C(=O)C45CC6=COC=CC(C6N4C(=O)C3(C2)SS5)OC(=O)C

  • Inchi: InChI=1S/C22H20N2O8S2/c1-11(25)31-15-3-5-29-9-13-7-21-20(28)24-18-14(10-30-6-4-16(18)32-12(2)26)8-22(24,34-33-21)19(27)23(21)17(13)15/h3-6,9-10,15-18H,7-8H2,1-2H3

  • Inchikey: OHTZNUUGYPDWEB-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H20N2O8S2

  • Molecular weight: 504.50

  • Monoisotopic mass: 504.06610795

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Fungi

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